ChemSpider 2D Image | 1-{[(2R,3Z,12bS)-3-Ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]methyl}-9H-beta-carbolin-6-ol | C29H28N4O

1-{[(2R,3Z,12bS)-3-Ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]methyl}-9H-β-carbolin-6-ol

  • Molecular FormulaC29H28N4O
  • Average mass448.559 Da
  • Monoisotopic mass448.226318 Da
  • ChemSpider ID23339076

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{[(2R,3Z,12bS)-3-Ethyliden-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-2-yl]methyl}-9H-β-carbolin-6-ol [German] [ACD/IUPAC Name]
1-{[(2R,3Z,12bS)-3-Ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]methyl}-9H-β-carbolin-6-ol [ACD/IUPAC Name]
1-{[(2R,3Z,12bS)-3-Éthylidène-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]méthyl}-9H-β-carbolin-6-ol [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indol-6-ol, 1-[[(2R,3Z,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]methyl]- [ACD/Index Name]
1-{[(2S,4R,5Z)-5-ethylidene-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]methyl}-9H-pyrido[3,4-b]indol-6-ol
10'-hydroxyusambarensine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 729.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.787
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 51.88
ACD/KOC (pH 7.4): 154.92
Polar Surface Area: 68 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 324.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement